Natural products in cancer therapy: Past, present and future
Natural products, with remarkable chemical diversity, have been extensively investigated for
their anticancer potential for more than a half-century. The collective efforts of the community …
their anticancer potential for more than a half-century. The collective efforts of the community …
Application of artificial intelligence in medicine: an overview
Artificial intelligence (AI) is a new technical discipline that uses computer technology to
research and develop the theory, method, technique, and application system for the …
research and develop the theory, method, technique, and application system for the …
Demystifying supervised learning in healthcare 4.0: A new reality of transforming diagnostic medicine
The global healthcare sector continues to grow rapidly and is reflected as one of the fastest-
growing sectors in the fourth industrial revolution (4.0). The majority of the healthcare …
growing sectors in the fourth industrial revolution (4.0). The majority of the healthcare …
Advances in targeting the WNT/β-catenin signaling pathway in cancer
WNT/β-catenin signaling orchestrates various physiological processes, including embryonic
development, growth, tissue homeostasis, and regeneration. Abnormal WNT/β-catenin …
development, growth, tissue homeostasis, and regeneration. Abnormal WNT/β-catenin …
Machine learning approaches and their applications in drug discovery and design
S Priya, G Tripathi, DB Singh, P Jain… - Chemical Biology & …, 2022 - Wiley Online Library
This review is focused on several machine learning approaches used in chemoinformatics.
Machine learning approaches provide tools and algorithms to improve drug discovery. Many …
Machine learning approaches provide tools and algorithms to improve drug discovery. Many …
Machine learning and deep learning in data-driven decision making of drug discovery and challenges in high-quality data acquisition in the pharmaceutical industry
SA Kumar, TD Ananda Kumar… - Future Medicinal …, 2022 - Taylor & Francis
Predicting novel small molecule bioactivities for the target deconvolution, hit-to-lead
optimization in drug discovery research, requires molecular representation. Previous reports …
optimization in drug discovery research, requires molecular representation. Previous reports …
Impact of artificial intelligence on compound discovery, design, and synthesis
As in other areas, artificial intelligence (AI) is heavily promoted in different scientific fields,
including chemistry. Although chemistry traditionally tends to be a conservative field and …
including chemistry. Although chemistry traditionally tends to be a conservative field and …
Artificial intelligence and machine learning for lead-to-candidate decision-making and beyond
D McNair - Annual review of pharmacology and toxicology, 2023 - annualreviews.org
The use of artificial intelligence (AI) and machine learning (ML) in pharmaceutical research
and development has to date focused on research: target identification; docking-, fragment …
and development has to date focused on research: target identification; docking-, fragment …
Feature importance correlation from machine learning indicates functional relationships between proteins and similar compound binding characteristics
R Rodríguez-Pérez, J Bajorath - Scientific reports, 2021 - nature.com
Abstract Machine learning is widely applied in drug discovery research to predict molecular
properties and aid in the identification of active compounds. Herein, we introduce a new …
properties and aid in the identification of active compounds. Herein, we introduce a new …
Review of predicting synergistic drug combinations
The prediction of drug combinations is of great clinical significance. In many diseases, such
as high blood pressure, diabetes, and stomach ulcers, the simultaneous use of two or more …
as high blood pressure, diabetes, and stomach ulcers, the simultaneous use of two or more …